Focused On-demand Library for Aldo-keto reductase family 1 member B15

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.







Alternative names:

Estradiol 17-beta-dehydrogenase AKR1B15; Farnesol dehydrogenase; Testosterone 17beta-dehydrogenase

Alternative UPACC:

C9JRZ8; C9J3V2


Aldo-keto reductase family 1 member B15, also known as Estradiol 17-beta-dehydrogenase AKR1B15, Farnesol dehydrogenase, and Testosterone 17beta-dehydrogenase, plays a crucial role in the NADPH-dependent reduction of various carbonyl substrates. This includes aromatic aldehydes, alkenals, ketones, and alpha-dicarbonyl compounds. It exhibits significant enzymatic activity towards all-trans-retinal and 9-cis-retinal, indicating a potential physiological role in retinoid metabolism.

Therapeutic significance:

Understanding the role of Aldo-keto reductase family 1 member B15 could open doors to potential therapeutic strategies, especially in the context of retinoid metabolism and hormonal regulation.

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